2-ethoxy-2,4,4-trimethylpentane

C10H22O — CID 22274771

IUPAC2-ethoxy-2,4,4-trimethylpentane
SMILESCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3
InChIKeyJGPJRBWLBUGAQN-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds3

About 2-ethoxy-2,4,4-trimethylpentane

2-ethoxy-2,4,4-trimethylpentane (PubChem CID 22274771) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2-ethoxy-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-ethoxy-2,4,4-trimethylpentane
PubChem CID22274771
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2-ethoxy-2,4,4-trimethylpentane
SMILESCCOC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3
InChIKeyJGPJRBWLBUGAQN-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,4,4-trimethylpentane?
The IUPAC name of 2-ethoxy-2,4,4-trimethylpentane (CID 22274771) is 2-ethoxy-2,4,4-trimethylpentane.
What is the SMILES notation for 2-ethoxy-2,4,4-trimethylpentane?
The canonical SMILES for 2-ethoxy-2,4,4-trimethylpentane is CCOC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethoxy-2,4,4-trimethylpentane?
The InChIKey is JGPJRBWLBUGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2-ethoxy-2,4,4-trimethylpentane?
2-ethoxy-2,4,4-trimethylpentane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,4,4-trimethylpentane is sourced from PubChem (CID 22274771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).